2-chloranyl-5-nitro-N-(4-phenyl-5-tetradecyl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-(4-phenyl-5-tetradecyl-1,3-thiazol-2-yl)benzamide Openeye Name: 2-chloro-5-nitro-N-(4-phenyl-5-tetradecyl-thiazol-2-yl)benzamide CAS Name: 2-chloro-5-nitro-N-(4-phenyl-5-tetradecyl-2-thiazolyl)benzamide IUPAC Name: 2-chloro-5-nitro-N-(4-phenyl-5-tetradecyl-1,3-thiazol-2-yl)benzamide Traditional Name: 2-chloro-N-(5-myristyl-4-phenyl-thiazol-2-yl)-5-nitro-benzamide Formula: C30H38ClN3O3S MolecularWeight: 556.15902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(N=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(N=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C30H38ClN3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-27-28(23-17-14-13-15-18-23)32-30(38-27)33-29(35)25-22-24(34(36)37)20-21-26(25)31/h13-15,17-18,20-22H,2-12,16,19H2,1H3,(H,32,33,35)